4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide

C10H19NOS — CID 123501525

IUPAC4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide
SMILESCC1CC(CN2CCS(=O)CC2)C1
InChIInChI=1S/C10H19NOS/c1-9-6-10(7-9)8-11-2-4-13(12)5-3-11/h9-10H,2-8H2,1H3
InChIKeyKZFVZTCVQCTDKZ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.10
Rot. Bonds2

About 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide

4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide (PubChem CID 123501525) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide
PubChem CID123501525
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide
SMILESCC1CC(CN2CCS(=O)CC2)C1
InChIInChI=1S/C10H19NOS/c1-9-6-10(7-9)8-11-2-4-13(12)5-3-11/h9-10H,2-8H2,1H3
InChIKeyKZFVZTCVQCTDKZ-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpentyl)thiomorpholine
CID 134994483
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
4-Methyl-4-(3-methylbutyl)-1,4-thiazinan-4-ium 1-oxide iodide
CID 126476109
2-(1-Piperidyl)ethyl ethyl sulfoxide
CID 15232581
5-(1-Piperidyl)pentyl isopentyl sulfoxide
CID 18965251
5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255
3-(1-Piperidyl)propyl isopentyl sulfoxide
CID 18965278
3-(1-Piperidyl)propyl isopentyl sulfone
CID 18965292
1,1,3-Trimethyl-5-(methylsulfonylmethyl)piperidin-1-ium
CID 20632595
4-(4-Methylpentyl)-1,4-thiazinane 1,1-dioxide
CID 20811836
1-[1-(3-Methylbutylsulfinyl)pentan-2-yl]piperidine
CID 22256693
1-(3-Methyl-1-pentylsulfinylbutan-2-yl)piperidine
CID 54126515

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide (CID 123501525) is 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide is CC1CC(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide?
The InChIKey is KZFVZTCVQCTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9-6-10(7-9)8-11-2-4-13(12)5-3-11/h9-10H,2-8H2,1H3.
What are the key properties of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide?
4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide has a molecular weight of 201.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 123501525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).